Geometry & MOs

Info

ID:	306785
PubChem CID:	125240971
Reduced:	N3O4C18H27 (1)
Stoich.:	A3B4C18D27 (1)
Weight, g/mol:	349.200156
ΔH_f, kcal/mol:	-154.31
Dipole, Da:	5.67
IP(EA), eV:	-9.24(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,8aS)-2-(furan-3-ylmethyl)-5-(propan-2-ylcarbamoyl)-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)NC(=O)N1CCC[C@]2(CN(C[C@@H]2C1)CC3=COC=C3)C(=O)O

DOS

IR

Vibrations